Structure Database (LMSD)

Common Name
(+-)-5-Deoxykievitone
Systematic Name
Synonyms
LM ID
LMPK12050458
Formula
C20H20O5
Exact Mass
Calculate m/z
340.131075
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
JIJYZALGIIQXKE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O5/c1-11(2)3-5-14-17(22)8-7-15-19(24)16(10-25-20(14)15)13-6-4-12(21)9-18(13)23/h3-4,6-9,16,21-23H,5,10H2,1-2H3
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/C)C2OCC(C3=CC=C(O)C=C3O)C(=O)C=2C=C1

Other Databases

KEGG ID
C10418
HMDB ID
HMDB0034214
CHEBI ID
63
METABOLOMICS ID
FLIB1LNI0001
PubChem CID
442770

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 318.51
Topological Polar Surface Area 89.06
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 3.96
Molar Refractivity 94.07

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Created at
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Updated at
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